General Property |
Molceule ID (DB) | EGIN0001842 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 7 compound |
IUPAC Name | N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-7-methoxy-5-[(4-methylpiperidin-1-yl)oxy]quinazolin-4-amine |
Formula | C27H28ClN5O3 |
Mass | 505.996 |
Exact Mass | 505.1880675 |
Composition | C (64.09%), H (5.58%), Cl (7.01%), N (13.84%), O (9.49%) |
Atom Count | 64 |
PI | 9.79 |
Smiles | c1(c2c(ON3CC[C@@H](CC3)C)cc(cc2ncn1)OC)Nc1cc(c(OCc2ncccc2)cc1)Cl |
InChI | 1S/C27H28ClN5O3/c1-18-8-11-33(12-9-18)36-25-15-21(34-2)14-23-26(25)27(31-17-30-23)32-19-6-7-24(22(28
)13-19)35-16-20-5-3-4-10-29-20/h3-7,10,13-15,17-18H,8-9,11-12,16H2,1-2H3,(H,30,31,32) |
InChIKey | DXHVWHPBMGIYNQ-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001842.png) | Structure Backbone | ![](./frame/f_EGIN0001842.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 16055332 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
44403420
|
Drug Bank Link | - |
ChemSpider Link | 23261667 |
ChEMBL Link | CHEMBL444619 |